methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate

C9H9BrN2O2 — CID 6893184

IUPACmethyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1Br
InChIInChI=1S/C9H9BrN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+
InChIKeyABMPNVNDXGYYLK-IZZDOVSWSA-N
MW257.09 g/mol
LogP2.14
Rot. Bonds2

About methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate

methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate (PubChem CID 6893184) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate
PubChem CID6893184
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Namemethyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1Br
InChIInChI=1S/C9H9BrN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+
InChIKeyABMPNVNDXGYYLK-IZZDOVSWSA-N
XLogP2.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(E)-phenylmethylidene]-1-hydrazinecarboxylate
CID 9557398
tert-butyl N-[(E)-1-(2-bromophenyl)ethylideneamino]carbamate
CID 9640360
tert-butyl (2E)-2-(4-bromobenzylidene)hydrazinecarboxylate
CID 6870647
Ethyl 2-benzylidenehydrazinecarboxylate
CID 5368159
4-Bromobenzaldehyde semicarbazone
CID 6907479
N'''',N'''''-Bis[(E)-(2-bromophenyl)methylidene]carbonic dihydrazide (5)
CID 126842912
Ethyl 2-[1-(4-bromophenyl)ethylidene]hydrazinecarboxylate
CID 9580460
methyl N-[(E)-1-(2-bromophenyl)ethylideneamino]carbamate
CID 9668341
Methyl 2-[1-(4-bromophenyl)ethylidene]-1-hydrazinecarboxylate
CID 9581652
Methyl 2-(4-methylbenzylidene)hydrazinecarboxylate
CID 9554850
ethyl N-[1-(4-bromophenyl)ethylideneamino]carbamate
CID 2739335
Ethyl 2-(4-bromobenzylidene)hydrazinecarboxylate
CID 5332575

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate (CID 6893184) is methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1ccccc1Br.
What is the InChIKey of methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate?
The InChIKey is ABMPNVNDXGYYLK-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+.
What are the key properties of methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate?
methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate has a molecular weight of 257.09 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2-bromophenyl)methylideneamino]carbamate is sourced from PubChem (CID 6893184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).